N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine

C18H10ClF4N5 — CID 25014473

IUPACN-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESFc1cnc2n[nH]c(Nc3cc(C(F)(F)F)cc(-c4ccccc4Cl)n3)c2c1
InChIInChI=1S/C18H10ClF4N5/c19-13-4-2-1-3-11(13)14-5-9(18(21,22)23)6-15(25-14)26-17-12-7-10(20)8-24-16(12)27-28-17/h1-8H,(H2,24,25,26,27,28)
InChIKeyGBGNHUZQFPYZRM-UHFFFAOYSA-N
MW407.76 g/mol
LogP5.57
Rot. Bonds3

About N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine

N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 25014473) has the molecular formula C18H10ClF4N5 and a molecular weight of 407.76 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID25014473
Molecular FormulaC18H10ClF4N5
Molecular Weight407.76 g/mol
Exact Mass407.06
IUPAC NameN-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESFc1cnc2n[nH]c(Nc3cc(C(F)(F)F)cc(-c4ccccc4Cl)n3)c2c1
InChIInChI=1S/C18H10ClF4N5/c19-13-4-2-1-3-11(13)14-5-9(18(21,22)23)6-15(25-14)26-17-12-7-10(20)8-24-16(12)27-28-17/h1-8H,(H2,24,25,26,27,28)
InChIKeyGBGNHUZQFPYZRM-UHFFFAOYSA-N
XLogP5.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.76
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 25014473) is N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine is Fc1cnc2n[nH]c(Nc3cc(C(F)(F)F)cc(-c4ccccc4Cl)n3)c2c1.
What is the InChIKey of N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is GBGNHUZQFPYZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF4N5/c19-13-4-2-1-3-11(13)14-5-9(18(21,22)23)6-15(25-14)26-17-12-7-10(20)8-24-16(12)27-28-17/h1-8H,(H2,24,25,26,27,28).
What are the key properties of N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 407.76 g/mol, XLogP of 5.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 25014473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).